1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride

C20H20ClFN6O4 — CID 68779663

IUPAC1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2ccc(F)cc2)o1
InChIInChI=1S/C20H19FN6O4.ClH/c21-13-1-3-14(4-2-13)24-20-26-25-18(31-20)17(28)23-15-5-6-16(22-11-15)27-9-7-12(8-10-27)19(29)30;/h1-6,11-12H,7-10H2,(H,23,28)(H,24,26)(H,29,30);1H
InChIKeyZEYDQUIAOYLBPC-UHFFFAOYSA-N
MW462.87 g/mol
LogP3.32
Rot. Bonds6

About 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride

1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 68779663) has the molecular formula C20H20ClFN6O4 and a molecular weight of 462.87 g/mol. Its IUPAC name is 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID68779663
Molecular FormulaC20H20ClFN6O4
Molecular Weight462.87 g/mol
Exact Mass462.12
IUPAC Name1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(Nc1ccc(N2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2ccc(F)cc2)o1
InChIInChI=1S/C20H19FN6O4.ClH/c21-13-1-3-14(4-2-13)24-20-26-25-18(31-20)17(28)23-15-5-6-16(22-11-15)27-9-7-12(8-10-27)19(29)30;/h1-6,11-12H,7-10H2,(H,23,28)(H,24,26)(H,29,30);1H
InChIKeyZEYDQUIAOYLBPC-UHFFFAOYSA-N
XLogP3.32
TPSA133.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.87
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-[1-[5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid
CID 59464337
methyl 2-[1-[5-[[5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 91264909
4-[5-[[5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 68684583
2-[1-[5-[[5-[[4-(4-fluorophenoxy)cyclohexyl]amino]-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetic acid
CID 143243216
N-[6-(4-carbamoylpiperazin-1-yl)-3-pyridinyl]-5-(2-fluoroanilino)-1,3,4-oxadiazole-2-carboxamide
CID 59464141
1-[5-[[3-(4-fluoroanilino)pyrazole-1-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid
CID 174529652
5-(2-fluoroanilino)-N-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 59464215
5-(3-methylanilino)-N-(6-thiomorpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 68684834
5-(1,3-benzodioxol-5-ylamino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3,4-oxadiazole-2-carboxamide
CID 68683834
5-(3-methoxyanilino)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
CID 11538502
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride (CID 68779663) is 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(Nc1ccc(N2CCC(C(=O)O)CC2)nc1)c1nnc(Nc2ccc(F)cc2)o1.
What is the InChIKey of 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is ZEYDQUIAOYLBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O4.ClH/c21-13-1-3-14(4-2-13)24-20-26-25-18(31-20)17(28)23-15-5-6-16(22-11-15)27-9-7-12(8-10-27)19(29)30;/h1-6,11-12H,7-10H2,(H,23,28)(H,24,26)(H,29,30);1H.
What are the key properties of 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride?
1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 462.87 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-(4-fluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 68779663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).